Magnetic Spin

Alloy Theoretic Automated Toolkit (ATAT)
1

Dear LAMMPS Users,

I am studying magnetic simulation using LAMMPS with spin package and want to calculate the exchange interaction value (Jij). The output I get from the simulation is a dump file, but I don’t understand how to use the file to calculate Jij.

  1. there a special command or method in the LAMMPS spin package to calculate Jij from a dump file?
  2. If it is not available directly, how do I analyze the dump file to get the Jij value?

I would be very grateful if anyone can provide an explanation, sample script, or relevant references.

Thank you.

Regards,

Firman